4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine

C14H15NO3S — CID 54189244

IUPAC4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine
SMILESCOc1ccc(S(=O)(=O)c2ccnc(C)c2C)cc1
InChIInChI=1S/C14H15NO3S/c1-10-11(2)15-9-8-14(10)19(16,17)13-6-4-12(18-3)5-7-13/h4-9H,1-3H3
InChIKeyPHIHBDIYLUOVII-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.54
Rot. Bonds3

About 4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine

4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine (PubChem CID 54189244) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine
PubChem CID54189244
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine
SMILESCOc1ccc(S(=O)(=O)c2ccnc(C)c2C)cc1
InChIInChI=1S/C14H15NO3S/c1-10-11(2)15-9-8-14(10)19(16,17)13-6-4-12(18-3)5-7-13/h4-9H,1-3H3
InChIKeyPHIHBDIYLUOVII-UHFFFAOYSA-N
XLogP2.54
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine (CID 54189244) is 4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine is COc1ccc(S(=O)(=O)c2ccnc(C)c2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine?
The InChIKey is PHIHBDIYLUOVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-10-11(2)15-9-8-14(10)19(16,17)13-6-4-12(18-3)5-7-13/h4-9H,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine?
4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine has a molecular weight of 277.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-2,3-dimethylpyridine is sourced from PubChem (CID 54189244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).